Interface EnsembleHashGenerator


  • public interface EnsembleHashGenerator
    A hash function which generates a single 64-bit hash code for a set of molecules (ensemble).
    Author:
    John May
    Source code:
    main
    Belongs to CDK module:
    interfaces
    • Method Detail

      • generate

        long generate​(Set<IAtomContainer> ensemble)
        Generate invariant 64-bit hash code for an ensemble of molecules.
        Parameters:
        ensemble - an ensemble molecule
        Returns:
        hash code for the ensemble